From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Mon Jan 05 2015 - 00:42:51 CST
I think we should see the ERROR lines, too, as the lines you have posted are not an error. NAMD just tells that it skipped unused sections of the parmtop.
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von amin_at_imtech.res.in
Gesendet: Freitag, 26. Dezember 2014 04:55
An: Namd l
Betreff: Re: namd-l: warnings while using amber files
I think I should add that I am using NAMD-2.9 x64 (ibverbs) and ambertools 14.
On 2014-12-25 16:44, amin_at_imtech.res.in wrote:
I am trying to run a simulation with amber prmtop and inpcrd files made using tleap. I have used amber ff14sb force field. In the log file I get the following warnings:
PARM file in AMBER 7 format
Warning: Skipping ATOMIC_NUMBER in parm file while seeking MASS.
Warning: Skipping SCEE_SCALE_FACTOR in parm file while seeking SOLTY.
Warning: Skipping SCNB_SCALE_FACTOR in parm file while seeking SOLTY.
Warning: Encounter 10-12 H-bond term
Warning: CORRECTION OF ZERO MASS ATOMS TURNED OFF BECAUSE LONE PAIRS ARE USED
Warning: Found 32738 H-H bonds.
Then I get many lines where only "ERROR" is written.
Can someone please help me with this?
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